Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 12/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8188126 | 0.90 | MEN1 (0.40) | MEN1KMT2APTGS2SMN1; SMN2GAA | |
| SCHEMBL8196687 | 0.89 | PTGS2 (0.41) | PTGS2SMN1; SMN2GAATSHRHTT | |
| SCHEMBL8195825 | 0.89 | PTGS2 (0.38) | MEN1KMT2APTGS2SMN1; SMN2GAA | |
| SCHEMBL8196861 | 0.87 | PTGS2 (0.43) | MEN1KMT2APTGS2ALDH1A1PTGS1 | |
| SCHEMBL8188096 | 0.85 | PTGS2 (0.42) | MEN1KMT2APTGS2PTGS1AURKA | |
| SCHEMBL8195777 | 0.84 | PTGS2 (0.37) | MEN1KMT2APTGS2SMN1; SMN2GAA | |
| SCHEMBL8196169 | 0.83 | ALDH1A1 (0.37) | MEN1KMT2APTGS2SMN1; SMN2TSHR | |
| SCHEMBL8197102 | 0.82 | MAPT (0.42) | MEN1KMT2APTGS2SMN1; SMN2GAA | |
| SCHEMBL8058037 | 0.81 | PTGS2 (0.57) | PTGS2PTGS1 | |
| SCHEMBL8187466 | 0.80 | PTGS2 (0.39) | MEN1KMT2APTGS2SMN1; SMN2ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | claimed |
| WO-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | disclosed |